Refinement of the crystal structure of adenosine-5'-phosphate

The crystal structure of adenosine-5'-phosphate has been determined by three-dimensional Patterson superposition and two-dimensional Fourier methods. It has been refined by full-matrix leastsquares computations to a final R factor of 6"8% for 1197 reflections with measurable intensities. The space group is P21, with unit cell dimensions of a = 12.77, b = 11.82, c = 4.882 A and fl = 92 24'. The locations of 11 out of 16 hydrogen atoms in the asymmetric unit have been determined by difference-Fourier syntheses and least-squares refinement.